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2315-20-0

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Basic Information
CAS No.: 2315-20-0
Name: Nitrovin hydrochloride
Molecular Structure:
Molecular Structure of 2315-20-0 (Nitrovin hydrochloride)
Formula: C14H12 N6 O6 . Cl H
Molecular Weight: 396.78
Synonyms: Guanidine,[[3-(5-nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]allylidene]amino]-,monohydrochloride (8CI); Hydrazinecarboximidamide,2-[3-(5-nitro-2-furanyl)-1-[2-(5-nitro-2-furanyl)ethenyl]-2-propenylidene]-,monohydrochloride (9CI); 1,5-Bis(5-nitro-2-furyl)penta-1,4-dien-3-one amidinohydrazonehydrochloride; IF 326; Panazon; Payzone; Payzone 250
EINECS: 219-018-7
Density: 1.58g/cm3
Melting Point: 280℃
Boiling Point: 594.6°Cat760mmHg
Flash Point: 313.4°C
Safety: Mutation data reported. When heated to decomposition it emits very toxic fumes of HCl and NOx.
PSA: 192.18000
LogP: 5.29400
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Chemistry

Molecule structure of Panazon (CAS NO.2315-20-0):

IUPAC Name: 2-[[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene]amino]guanidine hydrochloride 
Molecular Weight: 396.74262 g/mol
Molecular Formula: C14H13ClN6O6 
Boiling Point: 594.6 °C at 760 mmHg
Flash Point: 313.4 °C
Enthalpy of Vaporization: 88.63 kJ/mol
Vapour Pressure: 4.15E-14 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 10
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 396.05851
MonoIsotopic Mass: 396.05851
Topological Polar Surface Area: 189
Heavy Atom Count: 27
Complexity: 601
Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-].Cl
Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=NN=C(N)N)/C=C/C2=CC=C(O2)[N+](=O)[O-].
Cl
InChI: InChI=1S/C14H12N6O6.ClH/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24;/h1-8H,(H4,15,16,18);1H/b3-1+,4-2+; InChIKey: ZEGPTFVBNBCAHZ-LMFJUDGVSA-N
EINECS of Panazon (CAS NO.2315-20-0): 219-018-7 
Storage Temp.: 0-6 °C

Toxicity Data With Reference

1.    

mma-sat 500 ng/plate

     MUREAV    Mutation Research. 77 (1980),21.
2.    

mrc-bcs 100 ng/disc

     MUREAV    Mutation Research. 77 (1980),21.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Mutation data reported. When heated to decomposition it emits very toxic fumes of HCl and NOx.

Specification

 Panazon (CAS NO.2315-20-0) is also called 1,5-Bis(5-nitro-2-furyl)-1,4-pentadiene-3-aminohydrazone hydrochloride ; AC 1692-40 ; IF 326 ; Payzone ; Payzone 250 ; 3-(3-(5-Nitro-2-furyl)-1-(2-(5-nitro-2-furyl)vinyl)allylidene)carbazamidine monohydrochloride ; Guanidine, ((3-(5-nitro-2-furyl)-1-(2-(5-nitro-2-furyl)vinyl)allylidene)amino)-, hydrochloride ; Hydrazinecarboximidamide, 2-(3-(5-nitro-2-furanyl)-1-(2-(5-nitro-2-furanyl)ethenyl)-2-propenylidene)-, monohydrochloride .